CID 453081

2'f-dda-n-oxide

Structural Information

Molecular Formula
C10H12FN5O3
SMILES
C1[C@H](O[C@H]([C@H]1F)N2C=NC3=C2N=CN(C3=N)O)CO
InChI
InChI=1S/C10H12FN5O3/c11-6-1-5(2-17)19-10(6)15-3-13-7-8(12)16(18)4-14-9(7)15/h3-6,10,12,17-18H,1-2H2/t5-,6-,10+/m0/s1
InChIKey
PTEMTCLIAPVSOS-JFWOZONXSA-N
Compound name
[(2S,4S,5R)-4-fluoro-5-(1-hydroxy-6-iminopurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

269.0924 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.09968 156.1
[M+Na]+ 292.08162 167.4
[M-H]- 268.08512 157.2
[M+NH4]+ 287.12622 169.3
[M+K]+ 308.05556 163.6
[M+H-H2O]+ 252.08966 147.4
[M+HCOO]- 314.09060 173.2
[M+CH3COO]- 328.10625 167.5
[M+Na-2H]- 290.06707 158.5
[M]+ 269.09185 155.8
[M]- 269.09295 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe